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[6-(([(4-Methylphenyl)sulfonyl]oxy)methyl)-2-pyridinyl]methyl 4-methylbenzenesulfonate
SpectraBase Compound ID 2XL7meMGY1q
InChI InChI=1S/C21H21NO6S2/c1-16-6-10-20(11-7-16)29(23,24)27-14-18-4-3-5-19(22-18)15-28-30(25,26)21-12-8-17(2)9-13-21/h3-13H,14-15H2,1-2H3
InChIKey KCJWMIHVOLGTPP-UHFFFAOYSA-N
Mol Weight 447.52 g/mol
Molecular Formula C21H21NO6S2
Exact Mass 447.08103 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LoRU363aSA0
Name [6-(([(4-Methylphenyl)sulfonyl]oxy)methyl)-2-pyridinyl]methyl 4-methylbenzenesulfonate
CAS Registry Number 112633-26-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H21NO6S2
InChI InChI=1S/C21H21NO6S2/c1-16-6-10-20(11-7-16)29(23,24)27-14-18-4-3-5-19(22-18)15-28-30(25,26)21-12-8-17(2)9-13-21/h3-13H,14-15H2,1-2H3
InChIKey KCJWMIHVOLGTPP-UHFFFAOYSA-N
Molecular Weight 447.520 g/mol
SMILES C(OS(=O)(=O)c1ccc(cc1)C)c1nc(ccc1)COS(=O)(=O)c1ccc(cc1)C
SPLASH splash10-0006-9530000000-37203ef2df7de03c36cc
Synonyms 2,6-Pyridinedimethanol, bis(4-methylbenzenesulfonate) (ester) [6-(p-tolylsulfonyloxymethyl)-2-pyridyl]methyl 4-methylbenzenesulfonate [6-[(4-methylphenyl)sulfonyloxymethyl]pyridin-2-yl]methyl 4-methylbenzenesulfonate 4-Methylbenzenesulfonic acid [6-[(4-methylphenyl)sulfonyloxymethyl]-2-pyridinyl]methyl ester
Wiley ID 1497655